3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one

C21H21N3O2 — CID 133452908

IUPAC3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1nc2ccccc2c(NCc2ccc(N3CCOC3=O)cc2)c1C
InChIInChI=1S/C21H21N3O2/c1-14-15(2)23-19-6-4-3-5-18(19)20(14)22-13-16-7-9-17(10-8-16)24-11-12-26-21(24)25/h3-10H,11-13H2,1-2H3,(H,22,23)
InChIKeyCSVSYCPJQQUUQR-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.42
Rot. Bonds4

About 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 133452908) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID133452908
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1nc2ccccc2c(NCc2ccc(N3CCOC3=O)cc2)c1C
InChIInChI=1S/C21H21N3O2/c1-14-15(2)23-19-6-4-3-5-18(19)20(14)22-13-16-7-9-17(10-8-16)24-11-12-26-21(24)25/h3-10H,11-13H2,1-2H3,(H,22,23)
InChIKeyCSVSYCPJQQUUQR-UHFFFAOYSA-N
XLogP4.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one (CID 133452908) is 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one is Cc1nc2ccccc2c(NCc2ccc(N3CCOC3=O)cc2)c1C.
What is the InChIKey of 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is CSVSYCPJQQUUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-15(2)23-19-6-4-3-5-18(19)20(14)22-13-16-7-9-17(10-8-16)24-11-12-26-21(24)25/h3-10H,11-13H2,1-2H3,(H,22,23).
What are the key properties of 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 133452908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).